Traditional Herbal Medicine Structural Elucidation using SYNAPT HDMS with Time-Aligned Parallel (TAP) Fragmentation

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Kate Yu, Jose Castro-Perez, and John Shockcor
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Application Notes
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Application Notes
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The challenges in analyzing Traditional Herbal Medicine (THM) or Traditional Chinese Medicine (TCM) samples arise from the complexity of the matrix as well as variability from sample to sample. We have reported a generic intelligent work flow that allows fast sample analysis while obtaining maximum information by effectively utilizing UPLC®/HDMS™ analysis in time-of-flight (TOF) mode with a variety of advanced profiling software tools (MetaboLynx™ and MarkerLynx™ Application Managers).

In this application note, we demonstrate a strategy that provides an effective means of confirming known components and elucidating structures of unknown components.

The strategy reported here comprises of an initial sample screening using the Waters® ACQUITY UPLC® System with the SYNAPT™ HDMS System in full-scan IMS mode.

Once a compound or class of compounds are identified, a targeted fraction collection is performed in analytical scale and the fraction collected can be infused into the mass spectrometer at a nano-scale flow rate so that structural elucidation can be performed for the compound of interest. The nano-scale flow rate allows infusion to be carried out over an extended time period, making it possible to conduct multiple MS/MS experiments, including time-aligned parallel (TAP) fragmentation experiments.

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